SCHEMBL7875841

SCHEMBL7875841

O=C(O)C1CCn2cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 3/20 0.46
RAC1 P63000 3/20 0.46
PTGS2 P35354 3/20 0.46
PTGS1 P23219 2/20 0.46
NPC1 O15118 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.46
RAB9A P51151 1/20 0.46
PAK1 Q13153 1/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ABCC4 O15439 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
NFKB1 P19838 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17361251 1.00 CDC42 (0.46) CDC42RAC1PTGS2PTGS1NPC1
Biphenyl SCHEMBL27297012 0.93 CDC42 (0.46) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11201877 0.89 CDC42 (0.41) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11197597 0.88 CDC42 (0.40) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL30128755 0.84 CDC42 (0.43) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL7873890 0.84 ALDH1A1 (0.37) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL9458684 0.79 CDC42 (0.40) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL9383103 0.76 KDM4E (0.40) ALDH1A1KDM4EHTTLMNA
SCHEMBL9381071 0.76 CA12 (0.36) ALDH1A1KDM4EMAPTTP53
SCHEMBL9381386 0.75 ALDH1A1 (0.39) CHRM3ALDH1A1KDM4EMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081898-A1 Compositions for Enhancing Nail Health ALLERGAN INC (US) 2016-03-24 US disclosed
US-9050262-B2 Compositions for enhancing nail health ALLERGAN, INC. (US) 2015-06-09 US disclosed
EP-2763649-A2 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2014-08-13 EP disclosed
EP-2763650-A2 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2014-08-13 EP disclosed
US-20140079655-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2014-03-20 US disclosed
US-20130156713-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2013-06-20 US disclosed
WO-2013052380-A2 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2013-04-11 WO disclosed
WO-2013052424-A2 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2013-04-11 WO disclosed
US-20130089508-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH ALLERGAN, INC. (US) 2013-04-11 US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 US disclosed
EP-0330283-A1 Novel 5,6-diphenyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1989-08-30 EP disclosed
EP-0297923-A1 Benzodioxane prostacyclin analogues, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-01-04 EP disclosed
EP-0284076-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid and related compounds SYNTEX (U.S.A.) INC. (US) 1988-09-28 EP disclosed
EP-0284076-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid and related compounds SYNTEX (U.S.A.) INC. (US) 1988-09-28 EP disclosed
EP-0284076-A1 Process for preparing (+)-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid and related compounds SYNTEX (U.S.A.) INC. (US) 1988-09-28 EP disclosed
EP-0264429-A1 ENZYMATIC PROCESS FOR PREPARING OPTICALLY-ACTIVE 1,2-DIHYDRO-3H-PYRROLO 1,2a]PYRROLE-1-CARBOXYLIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1988-04-27 EP disclosed
WO-1987006266-A1 ENZYMATIC PROCESS FOR PREPARING OPTICALLY-ACTIVE 1,2-DIHYDRO-3H-PYRROLO[1,2a]PYRROLE-1-CARBOXYLIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-10-22 WO disclosed
EP-0041711-B1 6-CHLORO- OR 6-BROMO-1,2-DIHYDRO-3H-PYRROLO(1,2-A)-PYRROLE-1-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1985-04-17 EP disclosed
EP-0096583-A2 5-Aroyl-1,2-dihydro-3H-pyrrolo 1,2-a pyrrole-1-carboxylic acids and derivatives thereof, processes for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1983-12-21 EP disclosed
US-4087539-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SMOOTH MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130089508-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH TYR, NACA, PIK3C3 CDC42 540/4885RAC1 1330/4885PTGS2 3838/4885
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP CDC42 1374/4885RAC1 1004/4885PTGS2 1417/4885
US-20140079655-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH TYR, NACA, PIK3C3 CDC42 540/4885RAC1 1330/4885PTGS2 3838/4885
US-20130156713-A1 COMPOSITIONS FOR ENHANCING NAIL HEALTH TYR, NACA, PIK3C3 CDC42 540/4885RAC1 1330/4885PTGS2 3838/4885
US-20160081898-A1 Compositions for Enhancing Nail Health TYR, NACA, PIK3C3 CDC42 540/4885RAC1 1330/4885PTGS2 3838/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.